r4988 - /branches/N_state_model/specific_fns/n_state_model.py -- February 14, 2008 - 10:48

Author: bugman
Date: Thu Feb 14 10:33:09 2008
New Revision: 4988

URL: http://svn.gna.org/viewcvs/relax?rev=4988&view=rev
Log:
The cone angle for diffusion on an axially symmetric cone is now calculated.


Modified:
    branches/N_state_model/specific_fns/n_state_model.py

Modified: branches/N_state_model/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/N_state_model/specific_fns/n_state_model.py?rev=4988&r1=4987&r2=4988&view=diff
==============================================================================
--- branches/N_state_model/specific_fns/n_state_model.py (original)
+++ branches/N_state_model/specific_fns/n_state_model.py Thu Feb 14 10:33:09 
2008
@@ -21,7 +21,7 @@
 
###############################################################################
 
 # Python module imports.
-from math import pi
+from math import acos, pi
 from numpy import array, dot, float64, zeros
 from numpy.linalg import norm
 from re import search
@@ -146,6 +146,9 @@
         # The full length rotated CoM vector.
         cdp.rot_CoM = norm(cdp.CoM) * cdp.red_CoM / len_red
 
+        # The cone angle for diffusion on an axially symmetric cone.
+        cdp.diff_on_cone_theta = acos(len_red)
+
         # Print out.
         print "\nThe pivot point of the domain motions is:\n" + 
`cdp.pivot_point` + "\n"
         print "The initial centre of mass (prior to rotation) for the moving 
domain is:\n" + `cdp.CoM` + "\n"
@@ -153,6 +156,7 @@
         print "The reduced CoM vector is:\n" + `cdp.red_CoM` + "\n"
         print "The full length rotated CoM vector is:\n" + `cdp.rot_CoM` + 
"\n"
         print "The length reduction is:\n" + `len_red` + "\n"
+        print "The cone angle for diffusion on an axially symmetric cone 
is:\n%.5f rad (%.5f deg)\n" % (cdp.diff_on_cone_theta, cdp.diff_on_cone_theta 
/ (2*pi) *360.)
 
         raise NameError, "hello"